1-(1H-imidazol-5-ylmethyl)-4-(phenylsulfonyl)-3-(pyridin-3-ylmethyl)-5H-1,4-benzodiazepine

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-(phenylsulfonyl)-3-(pyridin-3-ylmethyl)-5H-1,4-benzodiazepine Openeye Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(3-pyridylmethyl)-5H-1,4-benzodiazepine CAS Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(3-pyridinylmethyl)-5H-1,4-benzodiazepine IUPAC Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(pyridin-3-ylmethyl)-5H-1,4-benzodiazepine Traditional Name: 4-besyl-1-(1H-imidazol-5-ylmethyl)-3-(3-pyridylmethyl)-5H-1,4-benzodiazepine Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(C=C(N1S(=O)(=O)C3=CC=CC=C3)CC4=CN=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1C2=CC=CC=C2N(C=C(N1S(=O)(=O)C3=CC=CC=C3)CC4=CN=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C25H23N5O2S/c31-33(32,24-9-2-1-3-10-24)30-16-21-8-4-5-11-25(21)29(17-22-15-27-19-28-22)18-23(30)13-20-7-6-12-26-14-20/h1-12,14-15,18-19H,13,16-17H2,(H,27,28)